Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 5/20 | 0.41 |
| ▸ | SAT1 | P21673 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5596696 | 0.93 | — | — | |
| SCHEMBL15442502 | 0.85 | CYP2C19 (0.60) | CYP2C19CYP1A2MEN1GLAKMT2A | |
| SCHEMBL5247170 | 0.83 | — | — | |
| SCHEMBL13822544 | 0.83 | CYP2C19 (0.57) | CYP2C19CYP1A2MEN1GLAKMT2A | |
| SCHEMBL13492945 | 0.81 | CYP2C19 (0.55) | CYP2C19CYP1A2MEN1GLAKMT2A | |
| Dipentylamine SCHEMBL28302348 | 0.80 | TSHR (0.56) | CYP2C19CYP1A2MEN1KMT2ATSHR | |
| SCHEMBL23518842 | 0.79 | TSHR (0.59) | CYP2C19CYP1A2MEN1GLAKMT2A | |
| SCHEMBL21227304 | 0.79 | TSHR (0.52) | CYP2C19CYP1A2MEN1GLAKMT2A | |
| SCHEMBL20634245 | 0.79 | CYP2C19 (0.52) | CYP2C19CYP1A2MEN1GLAKMT2A | |
| SCHEMBL5246124 | 0.79 | CYP2C19 (0.36) | CYP2C19CYP1A2MEN1GLAKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1364161-A | N-substituted perhydrodiazines | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |
| CN-1362950-A | Substituted ureas | BASF AG (DE) | 2002-08-07 | — | — | CN | disclosed |